SCHEMBL22066276

SCHEMBL22066276

C[C@H](NP(=O)(Oc1c([N+](=O)[O-])cccc1C(F)(F)F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BTN3A1 O00481 1/20 0.38
▸ PTGES O14684 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ MAX P61244 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18973547 0.89 BTN3A1 (0.46) MEN1KMT2AALDH1A1BTN3A1
SCHEMBL20833582 0.87 BTN3A1 (0.43) ALDH1A1GAAMAPTBTN3A1HTT
SCHEMBL22066302 0.87 BTN3A1 (0.39) ALDH1A1GAAMAPTBTN3A1HTT
SCHEMBL22065046 0.87 BTN3A1 (0.39) ALDH1A1GAAMAPTBTN3A1HTT
SCHEMBL22066300 0.87 BTN3A1 (0.39) KMT2AALDH1A1KDM4EGAAMAPT
SCHEMBL22066301 0.82 MRGPRX4 (0.43) KMT2AALDH1A1MAPTBTN3A1HTT
SCHEMBL20833545 0.81 BTN3A1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL22066284 0.81 BTN3A1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL22065060 0.81 BTN3A1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL20587649 0.81 BTN3A1 (0.42) MEN1KMT2AALDH1A1KDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP MEN1 1081/4885KMT2A 3806/4885ALDH1A1 2573/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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